3-[[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]methylsulfanyl]propanoate

Systemtic Name: 3-[[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]methylsulfanyl]propanoate Openeye Name: 3-[[1-methyl-3-(p-tolyl)pyrazol-4-yl]methylsulfanyl]propanoate CAS Name: 3-[[1-methyl-3-(4-methylphenyl)-4-pyrazolyl]methylthio]propanoate IUPAC Name: 3-[[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]methylsulfanyl]propanoate Traditional Name: 3-[[1-methyl-3-(p-tolyl)pyrazol-4-yl]methylthio]propionate Formula: C15H17N2O2S- MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CSCCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CSCCC(=O)[O-])C

InChI

InChI=1S/C15H18N2O2S/c1-11-3-5-12(6-4-11)15-13(9-17(2)16-15)10-20-8-7-14(18)19/h3-6,9H,7-8,10H2,1-2H3,(H,18,19)/p-1